2-methoxy-5-prop-1-ynylthiophene

C8H8OS — CID 90306596

IUPAC2-methoxy-5-prop-1-ynylthiophene
SMILESCC#Cc1ccc(OC)s1
InChIInChI=1S/C8H8OS/c1-3-4-7-5-6-8(9-2)10-7/h5-6H,1-2H3
InChIKeyHVDGOXWXGRUNPD-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.13
Rot. Bonds1

About 2-methoxy-5-prop-1-ynylthiophene

2-methoxy-5-prop-1-ynylthiophene (PubChem CID 90306596) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-methoxy-5-prop-1-ynylthiophene.

Molecular Properties

Compound Name2-methoxy-5-prop-1-ynylthiophene
PubChem CID90306596
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2-methoxy-5-prop-1-ynylthiophene
SMILESCC#Cc1ccc(OC)s1
InChIInChI=1S/C8H8OS/c1-3-4-7-5-6-8(9-2)10-7/h5-6H,1-2H3
InChIKeyHVDGOXWXGRUNPD-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-prop-1-ynylthiophene?
The IUPAC name of 2-methoxy-5-prop-1-ynylthiophene (CID 90306596) is 2-methoxy-5-prop-1-ynylthiophene.
What is the SMILES notation for 2-methoxy-5-prop-1-ynylthiophene?
The canonical SMILES for 2-methoxy-5-prop-1-ynylthiophene is CC#Cc1ccc(OC)s1.
What is the InChIKey of 2-methoxy-5-prop-1-ynylthiophene?
The InChIKey is HVDGOXWXGRUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-3-4-7-5-6-8(9-2)10-7/h5-6H,1-2H3.
What are the key properties of 2-methoxy-5-prop-1-ynylthiophene?
2-methoxy-5-prop-1-ynylthiophene has a molecular weight of 152.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-prop-1-ynylthiophene is sourced from PubChem (CID 90306596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).